2-[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C20H21N4O2S2+ MolecularWeight: 413.53634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C20H20N4O2S2/c1-15(20-22-17-7-3-4-8-18(17)27-20)23-10-12-24(13-11-23)28(25,26)19-9-5-2-6-16(19)14-21/h2-9,15H,10-13H2,1H3/p+1/t15-/m1/s1